8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine

C11H6BrFN4O — CID 83235428

IUPAC8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(Oc2nccn3cnnc23)cc1Br
InChIInChI=1S/C11H6BrFN4O/c12-8-5-7(1-2-9(8)13)18-11-10-16-15-6-17(10)4-3-14-11/h1-6H
InChIKeySOOFQJKGMMEXIA-UHFFFAOYSA-N
MW309.10 g/mol
LogP2.82
Rot. Bonds2

About 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine

8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 83235428) has the molecular formula C11H6BrFN4O and a molecular weight of 309.10 g/mol. Its IUPAC name is 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID83235428
Molecular FormulaC11H6BrFN4O
Molecular Weight309.10 g/mol
Exact Mass307.97
IUPAC Name8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(Oc2nccn3cnnc23)cc1Br
InChIInChI=1S/C11H6BrFN4O/c12-8-5-7(1-2-9(8)13)18-11-10-16-15-6-17(10)4-3-14-11/h1-6H
InChIKeySOOFQJKGMMEXIA-UHFFFAOYSA-N
XLogP2.82
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine (CID 83235428) is 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(Oc2nccn3cnnc23)cc1Br.
What is the InChIKey of 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is SOOFQJKGMMEXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN4O/c12-8-5-7(1-2-9(8)13)18-11-10-16-15-6-17(10)4-3-14-11/h1-6H.
What are the key properties of 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 309.10 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 83235428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).